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Information card for entry 2018977
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| Coordinates | 2018977.cif |
|---|---|
| Structure factors | 2018977.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin |
|---|---|
| Formula | C72 H86 N4 O4 |
| Calculated formula | C72 H86 N4 O4 |
| Title of publication | <i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin |
| Authors of publication | Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 651 - 653 |
| a | 15.9611 ± 0.001 Å |
| b | 19.1464 ± 0.0012 Å |
| c | 10.162 ± 0.0006 Å |
| α | 90° |
| β | 91.335 ± 0.001° |
| γ | 90° |
| Cell volume | 3104.6 ± 0.3 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018977.cif 2018977.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018977.cif 2018977.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018977.cif 2018977.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018977.cif 2018977.hkl |
| 86652 | 2013-07-11 | cif/ Adding structures of 2018977 via cif-deposit CGI script. |
2018977.cif |
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Users of the data should acknowledge the original authors of the
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